2,2-Dimethyloxirane | SBID = 697 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 63.8 | ||
| Sum Formula: | C4H8O | ||
| M / g/mol: | 72.11 | ||
| Complexity: | 47.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 2,2-Dimethyloxirane
- Preferred Abbreviation: 2,2-Dimethyloxirane
- IUPAC Name: 2,2-dimethyloxirane
- CAS: 558-30-5
- CID: 11208
- InChiKey: GELKGHVAFRCJNA-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
- CanoSmiles: CC1(CO1)C
- IsoSmiles: CC1(CO1)C
